%chk=000182563.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000182563

0 1
Br 0.593899 -5.178941 -0.094097
O 4.766128 1.486834 -0.939923
N -0.908624 1.452342 1.648118
N -5.628278 -0.570184 0.156987
N 2.531685 -0.305397 -0.170564
C -2.612678 1.765053 -0.198820
C -3.828356 1.095690 0.449408
C -1.689535 2.431305 0.834980
C 0.227497 0.861205 1.014673
C -4.622966 0.268649 -0.577396
C 1.366500 1.668959 0.710517
C 0.276578 -0.531764 0.767035
C 2.490129 1.036294 0.079690
C 1.474359 -1.072732 0.181863
C 1.445459 3.061481 1.046477
C -0.809302 -1.438953 1.048289
C 3.628722 1.872744 -0.284827
C 1.565038 -2.500808 -0.072925
C -6.054486 -1.729765 -0.683140
C -6.818448 0.239600 0.554556
C 2.544009 3.804389 0.710889
C 3.641078 3.218343 0.022837
C -0.707717 -2.773389 0.792978
C 0.506608 -3.295038 0.229927
C 4.978629 0.105897 -1.327074
H -2.036805 1.026266 -0.792969
H -2.949115 2.527181 -0.929409
H -3.517766 0.432190 1.281903
H -4.482857 1.858903 0.912763
H -0.996629 3.133524 0.319482
H -2.279498 3.042849 1.555594
H -3.928152 -0.407248 -1.123278
H -5.077782 0.933552 -1.340775
H -1.541156 0.748095 2.057226
H 0.625104 3.508510 1.607977
H -1.731114 -1.032257 1.472658
H 2.496018 -2.878816 -0.502422
H -5.176881 -2.361165 -0.896107
H -6.531969 -1.463088 -1.636882
H -6.760612 -2.348961 -0.106249
H -6.492456 1.067953 1.203230
H -7.494492 -0.391576 1.153830
H -7.392949 0.662030 -0.282526
H 2.606559 4.861484 0.970447
H 4.499851 3.828812 -0.252705
H -1.530773 -3.456479 1.007511
H 4.203580 -0.215841 -2.029234
H 5.001747 -0.537253 -0.441651
H 5.961818 0.170916 -1.808070


%chk=000182563-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000182563

0 1
Br 2.174235 -5.530338 0.634395
O 5.154360 1.734890 -0.068940
N -1.004104 0.773628 0.581103
N -6.362081 -0.158854 0.273008
N 3.126903 -0.326064 0.260770
C -2.983687 1.446002 -0.778299
C -4.070404 0.900262 0.178346
C -1.692858 1.911664 -0.065820
C 0.346113 0.448617 0.519884
C -5.367839 0.538213 -0.575486
C 1.384390 1.450497 0.477876
C 0.731530 -0.943816 0.527094
C 2.761450 0.994777 0.276179
C 2.146151 -1.264246 0.425274
C 1.134466 2.845500 0.712789
C -0.204979 -2.029794 0.607610
C 3.804676 2.004684 0.153491
C 2.558346 -2.645095 0.465122
C -7.422728 -0.800226 -0.533291
C -6.930590 0.700467 1.332092
C 2.177588 3.769818 0.668751
C 3.503754 3.357118 0.355786
C 0.209109 -3.360711 0.639702
C 1.609129 -3.648636 0.576952
C 5.602075 0.560507 -0.843560
H -2.726381 0.681104 -1.537974
H -3.394779 2.317073 -1.327387
H -3.731938 -0.018440 0.700326
H -4.271295 1.658160 0.960883
H -1.006123 2.368765 -0.798709
H -1.958058 2.692921 0.677951
H -5.109059 -0.142489 -1.410459
H -5.793088 1.469547 -1.039043
H -1.632183 0.015379 0.849523
H 0.133730 3.183826 0.986442
H -1.285636 -1.845220 0.636685
H 3.629447 -2.851742 0.402218
H -6.968980 -1.499301 -1.258344
H -8.053256 -0.070508 -1.103072
H -8.090365 -1.380740 0.128176
H -6.135970 1.059772 2.007487
H -7.642659 0.112536 1.937867
H -7.474776 1.592841 0.927415
H 1.981376 4.827363 0.875060
H 4.322018 4.080320 0.288673
H -0.518664 -4.174088 0.701958
H 4.978947 0.420489 -1.744996
H 5.554096 -0.351741 -0.232521
H 6.638193 0.806704 -1.128184


